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2-(Morpholin-4-yl)-6-(1H-pyrrol-1-yl)-pyridine-3,5-dicarbonitrile.

ABSTRACT: In the title compound, C(15)H(13)N(5)O, the morpholine ring adopts a chair conformation. The dihedral angle between the pyrrole ring and the pyridine ring is 28.93 (14)°. In the crystal, the molecules are linked by C-H⋯O hydrogen bonds occur, and aromatic weak π-π stacking [centroid-centroid separation = 4.178 (2) Å] and C-H⋯π inter-actions consolidate the packing.

SUBMITTER: Horton PN

PROVIDER: S-EPMC3297933 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-(Piperidin-1-yl)-6-(1H-pyrrol-1-yl)pyridine-3,5-dicarbonitrile.

Project description:The piperidine ring of the title compound, C(16)H(15)N(5), adopts a chair conformation. The pyridine ring is essentially planar, with a maximum deviation of 0.035 (3) Å. The pyrrole and pyridine rings are almost coplanar, forming a dihedral angle of 3.48 (14)°. In the crystal, no classical hydrogen bonds were found. In the crystal, the molecules are linked by aromatic π-π stacking [centroid-centroid separations = 3.4984 (16) and 3.9641 (15) Å between pyrrole and pyridine rings and between pyridine rings, respectively].

| S-EPMC3343920 | biostudies-literature

2,6-Diphenyl-4-(2-thien-yl)-1,4-dihydro-pyridine-3,5-dicarbonitrile.

Project description:The asymmetric unit of the title compound, C(23)H(15)N(3)S, contains two crystallographically independent mol-ecules. The pyridine rings adopt envelope conformations. The thio-phene rings are oriented at dihedral angles of 77.97?(4)/53.53?(4) and 78.44?(4)/57.11?(4)° with respect to the phenyl rings, while the dihedral angles between the phenyl rings are 48.51?(4) and 44.49?(4)°. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules into chains along the c axis. The S, C and H atoms of one of the thio-phene rings are disordered over two orientations, with occupancy ratios of 0.314?(15):0.686?(15).

| S-EPMC2970109 | biostudies-literature

4-[2-(4-Fluoro-phen-yl)-1H-pyrrol-3-yl]pyridine.

Project description:In the crystal structure of the title compound, C(15)H(11)FN(2), the pyrrole ring makes dihedral angles of 33.19?(9) and 36.33?(10)° with the pyridine and 4-fluoro-phenyl rings, respectively. The pyridine ring makes a dihedral angle of 46.59?(9)° with the 4-fluoro-phenyl ring. In the crystal structure, an N-H?N hydrogen bond joins the mol-ecules into chains.

| S-EPMC2968667 | biostudies-literature

2-Amino-4-(4-chloro-phen-yl)-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile.

Project description:In the title compound, C(17)H(14)ClN(5), two C atoms and their attached H atoms of the pyrrolidine ring are disordered over two sets of sites with an occupancy ratio of 0.638 (10):0.362 (10). The benzene and pyridine rings are inclined to one another by 60.57 (8)°. In the crystal, the amino group forms an N-H⋯N hydrogen bond with one of the cyano groups, linking the mol-ecules into chains along [010].

| S-EPMC3343967 | biostudies-literature

{2-[(3,5-Dimethyl-2H-pyrrol-2-yl-idene-?N)(4-nitro-phen-yl)meth-yl]-3,5-dimethyl-1H-pyrrol-1-ido-?N}difluoridoboron.

Project description:In an effort to discover novel and potential boron-dipyrromethene (BODIPY) dyes, the title compound, C(19)H(18)BF(2)N(3)O(2), was prepared from 2,4-dimethyl-pyrrole, 4-nitro-benzaldehyde and BF(3)·Et(2)O in a one-pot reaction. There are two independent mol-ecules, A and B, in the asymmetric unit in which the dihedral angles between the benzene ring and boron-dipyrromethene mean plane have significantly different values [82.71?(8)° for mol-ecule A and 73.16?(8)° for mol-ecule B]. Inter-molecular C-H?? inter-actions help to stabilize the crystal structure.

| S-EPMC3254419 | biostudies-literature

2-Amino-6-(pyrrolidin-1-yl)-4-p-tolyl-pyridine-3,5-dicarbonitrile.

Project description:In the title compound, C(18)H(17)N(5), the pyrrolidine ring adopts an envelope conformation. The pyrrolidine ring is disordered over two sets of sites with occupancy factors of 0.648?(6) and 0.352?(6). The dihedral angles between the pyrrolidine and pyridine rings are 14.6?(3)° for the major component and 16.2?(6)° for the ninor component. The crystal structure is stabilized by inter-molecular N-H?N and C-H?N inter-actions.

| S-EPMC3213431 | biostudies-literature

2,6-Dichloro-pyridine-3,5-dicarbonitrile.

Project description:In the crystal, essentially planar (r.m.s. deviation = 0.003?Å) mol-ecules of the title compound, C(7)HCl(2)N(3), form chains along the b axis by means of C-H?N inter-actions. These chains are further linked into layers parallel to the ab plane by C-Cl?N inter-actions.

| S-EPMC2983305 | biostudies-other

2-Amino-6-(dimethyl-amino)pyridine-3,5-dicarbonitrile.

Project description:The title compound, C(9)H(9)N(5), is slightly twisted from planarity, with a maximum deviation of 0.0285?(13)?Å from the pyridine plane for the C atom bearing the amino group. The cyano groups are on different sides of the pyridine plane, with C- and N-atom deviations of 0.072?(3)/0.124?(4) and -0.228?(4)/-0.409?(5)?Å from the pyridine plane. In the crystal, N-H?N and C-H?N hydrogen bonds connect the mol-ecules into zigzag chains running along the c axis.

| S-EPMC3344634 | biostudies-literature

2-[(1H-Pyrrol-2-yl)meth-yl]-1H-pyrrole.

Project description:In the title compound, C9H10N2, the two pyrrole ring planes are twisted by a dihedral angle of 69.07?(16)° and the C-C-C methane angle is 115.1?(2)°. In the crystal, mol-ecules are connected into layers in the bc plane by N-H?? inter-actions.

| S-EPMC3884347 | biostudies-literature

N-[(E)-Morpholin-4-yl-methyl-idene]-1-phenyl-1H-1,2,4-triazole-3,5-diamine monohydrate.

Project description:In the title compound, C(13)H(16)N(6)O·H(2)O, the mean planes of the benzene and 1,2,4-triazole rings form a dihedral angle of 54.80?(5)°. The N atom of the amino group adopts a trigonal-pyramidal configuration. Conjugation in the amidine N=C-N fragment results in sufficient shortening of the formal single bond. In the crystal, inter-molecular N-H?O and O-H?N hydrogen bonds link mol-ecules into double layers parallel to the bc plane.

| S-EPMC3011646 | biostudies-literature

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